(E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-thiophen-3-ylsulfonylindol-3-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-thiophen-3-ylsulfonylindol-3-yl)prop-2-en-1-one Openeye Name: (E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-(3-thienylsulfonyl)indol-3-yl]prop-2-en-1-one CAS Name: (E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-(3-thiophenylsulfonyl)-3-indolyl]-2-propen-1-one IUPAC Name: (E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-thiophen-3-ylsulfonylindol-3-yl)prop-2-en-1-one Traditional Name: (E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-(3-thienylsulfonyl)indol-3-yl]prop-2-en-1-one Formula: C24H20N2O3S2 MolecularWeight: 448.5572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C=CC3=CN(C4=CC=CC=C43)S(=O)(=O)C5=CSC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)/C=C/C3=CN(C4=CC=CC=C43)S(=O)(=O)C5=CSC=C5

InChI

InChI=1S/C24H20N2O3S2/c27-24(25-13-11-18-5-1-2-6-19(18)15-25)10-9-20-16-26(23-8-4-3-7-22(20)23)31(28,29)21-12-14-30-17-21/h1-10,12,14,16-17H,11,13,15H2/b10-9+